(3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid

C16H21F3N2O3 — CID 162625974

IUPAC(3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCN(c2cc(C(F)(F)F)cc(C)n2)C[C@@H]1O
InChIInChI=1S/C16H21F3N2O3/c1-3-4-15(14(23)24)5-6-21(9-12(15)22)13-8-11(16(17,18)19)7-10(2)20-13/h7-8,12,22H,3-6,9H2,1-2H3,(H,23,24)/t12-,15-/m0/s1
InChIKeyJUZUCEZLEGBSJC-WFASDCNBSA-N
MW346.35 g/mol
LogP2.85
Rot. Bonds4

About (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid

(3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 162625974) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID162625974
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCN(c2cc(C(F)(F)F)cc(C)n2)C[C@@H]1O
InChIInChI=1S/C16H21F3N2O3/c1-3-4-15(14(23)24)5-6-21(9-12(15)22)13-8-11(16(17,18)19)7-10(2)20-13/h7-8,12,22H,3-6,9H2,1-2H3,(H,23,24)/t12-,15-/m0/s1
InChIKeyJUZUCEZLEGBSJC-WFASDCNBSA-N
XLogP2.85
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid with MolForge

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Related Compounds

(3R,4S)-1-(6-fluoro-4-methylquinolin-2-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 157017760
(3S,4S)-1-(3,6-dimethylpyrazin-2-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 134705270
(3S,4S)-3-hydroxy-1-(6-methylsulfanyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 163316586
(3R,4S)-3-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propylpiperidine-4-carboxylic acid
CID 163310467
(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135109265
(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68804646
1-benzyl-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-6-ol
CID 72860692
(3R,4S)-1-(2,3-difluoro-4-methylbenzoyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135120772
(3R,4S)-1-(3,7-dimethyl-2,6-dioxopurin-8-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135088817
(3S,4S)-4-benzyl-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 162629508
(3S,4S)-3-hydroxy-4-propyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxylic acid
CID 135117228
(3R,4S)-1-[(2-fluoro-3-methylphenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135098454

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid (CID 162625974) is (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid is CCC[C@]1(C(=O)O)CCN(c2cc(C(F)(F)F)cc(C)n2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is JUZUCEZLEGBSJC-WFASDCNBSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-3-4-15(14(23)24)5-6-21(9-12(15)22)13-8-11(16(17,18)19)7-10(2)20-13/h7-8,12,22H,3-6,9H2,1-2H3,(H,23,24)/t12-,15-/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid?
(3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 346.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 162625974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).